CID 9561521

Nsc56989

Structural Information

Molecular Formula
C13H20N4O2
SMILES
CCCCC(CC)/C=N/NC1=NC=C(C=C1)[N+](=O)[O-]
InChI
InChI=1S/C13H20N4O2/c1-3-5-6-11(4-2)9-15-16-13-8-7-12(10-14-13)17(18)19/h7-11H,3-6H2,1-2H3,(H,14,16)/b15-9+
InChIKey
WNRPDSCCUJCKQP-OQLLNIDSSA-N
Compound name
N-[(E)-2-ethylhexylideneamino]-5-nitropyridin-2-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

264.15863 Da
Monoisotopic Mass

3.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 265.16591 161.6
[M+Na]+ 287.14785 165.6
[M-H]- 263.15135 164.6
[M+NH4]+ 282.19245 176.0
[M+K]+ 303.12179 159.5
[M+H-H2O]+ 247.15589 157.6
[M+HCOO]- 309.15683 187.4
[M+CH3COO]- 323.17248 200.0
[M+Na-2H]- 285.13330 168.1
[M]+ 264.15808 161.4
[M]- 264.15918 161.4
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.